Inner sphere reorganization energy for the electron transfer reactions between M-C6H6 and M+-C6H6 complexes in gaseous phase:: An ab initio computation

被引：0

作者：

Zhou, ZY ^{[1
]}

Xu, J ^{[1
]}

Zhang, CAS ^{[1
]}

Zhou, XM ^{[1
]}

机构：

[1] Qufu Normal Univ, Dept Chem, Qufu 273165, Peoples R China

来源：

CHINESE CHEMICAL LETTERS | 1998年 / 9卷 / 11期

关键词：

electron transfer reaction; reorganization energy; ab initio method;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

An ab initio computation of reorganization energy for the electron transfer reactions between metal atom-benzene and ion-benzene complexes is presented by using of both the George-Griffrth-Marcus (GGM) method and Hessian matrix method. The results suggest that the coupling interactions between different vibrational modes are very important to caclculation the inner sphere reorganization energy for electron transfer reactions in gaseous phase.

引用

页码：1009 / 1012

页数：4

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